Dear all,
I have found the problem. I added the restraints already before using MinimumRestraint, so they could not change. I'm sorry for bothering you!
Cheers Pia
Am 13.04.2011 um 11:14 schrieb Pia Unverdorben:
> Dear all, > > I have a question concerning the MinimumRestraint Class. > > My problem is, that I don't know exactly how to handle it, so that I can use the modified assembly further, in my case for an optimization with the restraints still switched off. When I read in an assembly (model and restraints), evaluate it before and after I applied MinimumRestraints, I obtain the same value. But with MinimumRestraint.unprotected_evaluate it gives back a smaller score. > > Here is the specific part (inactivate_pct is the percentage of restraints I want to inactivate): > > E_ini=self.ass.evaluate(False) > res=self.ass.restraints.restraint_sets['rigid_bodies'].get_restraints() > l=len(res) > num=int((1-inactivate_pct)*l) > minres=IMP.core.MinimumRestraint(num, res, 'MinimumRestraint') > minres.set_model(self.ass.model) > E_minres=minres.unprotected_evaluate(IMP.DerivativeAccumulator(1.0)) > E_end=self.ass.evaluate(False) > > So E_ini = E_end > E_minres. How can I access the changed model?? > > Thanks a lot in advance! > > Pia > > _______________________________________________ > IMP-dev mailing list > IMP-dev@salilab.org > https://salilab.org/mailman/listinfo/imp-dev